Humantenirine
TL;DR: Humantenirine (CAS 82375-30-2) is a chemical compound with molecular formula C21H26N2O4 and molecular weight 370.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(7Z)-7-ethylidene-1',6'-dimethoxyspiro[11-oxa-5-azatricyclo[6.3.1.04,9]dodecane-2,3'-indole]-2'-one
Also Known As: Humantenirine, (7Z)-7-ethylidene-1',6'-dimethoxy-spiro[11-oxa-5-azatricyclo[6.3.1.04,9]dodecane-2,3'-indoline]-2'-one, (7Z)-7-ethylidene-1',6'-dimethoxyspiro[11-oxa-5-azatricyclo[6.3.1.04,9]dodecane-2,3'-indole]-2'-one
| Molecular Formula | C21H26N2O4 |
|---|---|
| Molecular Weight | 370.19 g/mol |
| LogP | 2.1841 |
| Topological Polar Surface Area | 60.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 370.18927 |
| Heavy Atoms | 27 |
| Complexity | 822.39966 |
Chemical Identifiers
| CAS Number | 82375-30-2 |
|---|---|
| SMILES | C/C=C/1\CNC2CC3(C4CC1C2CO4)C5=C(C=C(C=C5)OC)N(C3=O)OC |
Product Overview
Humantenirine (CAS 82375-30-2), with molecular formula C21H26N2O4 and molecular weight 370.19 g/mol. IUPAC: (7Z)-7-ethylidene-1',6'-dimethoxyspiro[11-oxa-5-azatricyclo[6.3.1.04,9]dodecane-2,3'-indole]-2'-one.
Chemical Property Profile of Humantenirine
Property Insights of Humantenirine
The XLogP value of 2.1841 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Humantenirine. The TPSA of 60.03 Ų falls within the moderate polarity range, balancing permeability and solubility for Humantenirine. Following Lipinski's Rule of Five, Humantenirine has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Humantenirine?
The CAS number of Humantenirine is 82375-30-2.
What is the molecular formula of Humantenirine?
The molecular formula of Humantenirine is C21H26N2O4.
What is the molecular weight of Humantenirine?
The molecular weight of Humantenirine is 370.19 g/mol.
Where can I buy Humantenirine?
You can request a quote for Humantenirine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Humantenirine?
Yes, KEHONG BIO provides custom synthesis services for Humantenirine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.